methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate

C18H16FNO2 — CID 67289171

IUPACmethyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1
InChIInChI=1S/C18H16FNO2/c1-20-11-14(9-12-3-6-15(19)7-4-12)16-8-5-13(10-17(16)20)18(21)22-2/h3-8,10-11H,9H2,1-2H3
InChIKeyUXEIXOIFTIOONC-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.69
Rot. Bonds3

About methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate (PubChem CID 67289171) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate
PubChem CID67289171
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1
InChIInChI=1S/C18H16FNO2/c1-20-11-14(9-12-3-6-15(19)7-4-12)16-8-5-13(10-17(16)20)18(21)22-2/h3-8,10-11H,9H2,1-2H3
InChIKeyUXEIXOIFTIOONC-UHFFFAOYSA-N
XLogP3.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate (CID 67289171) is methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate is COC(=O)c1ccc2c(Cc3ccc(F)cc3)cn(C)c2c1.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate?
The InChIKey is UXEIXOIFTIOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-20-11-14(9-12-3-6-15(19)7-4-12)16-8-5-13(10-17(16)20)18(21)22-2/h3-8,10-11H,9H2,1-2H3.
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate has a molecular weight of 297.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-6-carboxylate is sourced from PubChem (CID 67289171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).